N-[4-(diethylsulfamoyl)phenyl]-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide

C21H23FN2O4S2 — CID 26720316

IUPACN-[4-(diethylsulfamoyl)phenyl]-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)c2sc3cccc(F)c3c2COC)cc1
InChIInChI=1S/C21H23FN2O4S2/c1-4-24(5-2)30(26,27)15-11-9-14(10-12-15)23-21(25)20-16(13-28-3)19-17(22)7-6-8-18(19)29-20/h6-12H,4-5,13H2,1-3H3,(H,23,25)
InChIKeyXZLUEQLGWNCRPD-UHFFFAOYSA-N
MW450.56 g/mol
LogP4.47
Rot. Bonds8

About N-[4-(diethylsulfamoyl)phenyl]-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide

N-[4-(diethylsulfamoyl)phenyl]-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide (PubChem CID 26720316) has the molecular formula C21H23FN2O4S2 and a molecular weight of 450.56 g/mol. Its IUPAC name is N-[4-(diethylsulfamoyl)phenyl]-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(diethylsulfamoyl)phenyl]-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide
PubChem CID26720316
Molecular FormulaC21H23FN2O4S2
Molecular Weight450.56 g/mol
Exact Mass450.11
IUPAC NameN-[4-(diethylsulfamoyl)phenyl]-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)c2sc3cccc(F)c3c2COC)cc1
InChIInChI=1S/C21H23FN2O4S2/c1-4-24(5-2)30(26,27)15-11-9-14(10-12-15)23-21(25)20-16(13-28-3)19-17(22)7-6-8-18(19)29-20/h6-12H,4-5,13H2,1-3H3,(H,23,25)
InChIKeyXZLUEQLGWNCRPD-UHFFFAOYSA-N
XLogP4.47
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.56
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(diethylsulfamoyl)phenyl]methyl]-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide
CID 24549138
N-(3,4-difluorophenyl)-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide
CID 27667570
N-(3,5-dimethylphenyl)-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide
CID 7668737
N-(2,6-dimethylphenyl)-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide
CID 16562791
N-[3-(2,2-dimethylpropanoylamino)phenyl]-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide
CID 55533243
4-fluoro-3-(methoxymethyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-benzothiophene-2-carboxamide
CID 60599332
N-(2-ethyl-6-methylphenyl)-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide
CID 7668040
N-[3-(diethylsulfamoyl)-4-methylphenyl]-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide
CID 18230489
4-fluoro-N-(2-fluoro-5-nitrophenyl)-3-(methoxymethyl)-1-benzothiophene-2-carboxamide
CID 60599278
N-[2-(ethylamino)-2-oxoethyl]-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide
CID 86911123
4-fluoro-3-(methoxymethyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1-benzothiophene-2-carboxamide
CID 17443904
4-fluoro-3-(methoxymethyl)-N-(2-methyl-6-propan-2-ylphenyl)-1-benzothiophene-2-carboxamide
CID 27667659

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide (CID 26720316) is N-[4-(diethylsulfamoyl)phenyl]-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[4-(diethylsulfamoyl)phenyl]-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[4-(diethylsulfamoyl)phenyl]-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide is CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2sc3cccc(F)c3c2COC)cc1.
What is the InChIKey of N-[4-(diethylsulfamoyl)phenyl]-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide?
The InChIKey is XZLUEQLGWNCRPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O4S2/c1-4-24(5-2)30(26,27)15-11-9-14(10-12-15)23-21(25)20-16(13-28-3)19-17(22)7-6-8-18(19)29-20/h6-12H,4-5,13H2,1-3H3,(H,23,25).
What are the key properties of N-[4-(diethylsulfamoyl)phenyl]-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide?
N-[4-(diethylsulfamoyl)phenyl]-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide has a molecular weight of 450.56 g/mol, XLogP of 4.47, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylsulfamoyl)phenyl]-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 26720316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).